Information card for entry 2300025

Structure parameters

• Formula: C6 H6 N12 O12
• Calculated formula: C6 H6 N12 O12
• SMILES: [C@H]12[C@@H]3N([C@@H]4[C@H](N1N(=O)=O)N(C(C(N3N(=O)=O)N2N(=O)=O)N4N(=O)=O)N(=O)=O)N(=O)=O
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2004
• Journal volume: 37
• Pages of publication: 791 - 797
• a: 8.8628 ± 0.0011 Å
• b: 12.5928 ± 0.0016 Å
• c: 13.3947 ± 0.0017 Å
• α: 90°
• β: 106.92 ± 0.002°
• γ: 90°
• Cell volume: 1430.2 ± 0.3 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No